(2R,3R)-3-amino-2-hydroxyoctanoic acid

C8H17NO3 — CID 10749769

IUPAC(2R,3R)-3-amino-2-hydroxyoctanoic acid
SMILESCCCCC[C@@H](N)[C@@H](O)C(=O)O
InChIInChI=1S/C8H17NO3/c1-2-3-4-5-6(9)7(10)8(11)12/h6-7,10H,2-5,9H2,1H3,(H,11,12)/t6-,7-/m1/s1
InChIKeyNYBUSPDQIWNDBN-RNFRBKRXSA-N
MW175.23 g/mol
LogP0.34
Rot. Bonds6

About (2R,3R)-3-amino-2-hydroxyoctanoic acid

(2R,3R)-3-amino-2-hydroxyoctanoic acid (PubChem CID 10749769) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is (2R,3R)-3-amino-2-hydroxyoctanoic acid.

Molecular Properties

Compound Name(2R,3R)-3-amino-2-hydroxyoctanoic acid
PubChem CID10749769
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Name(2R,3R)-3-amino-2-hydroxyoctanoic acid
SMILESCCCCC[C@@H](N)[C@@H](O)C(=O)O
InChIInChI=1S/C8H17NO3/c1-2-3-4-5-6(9)7(10)8(11)12/h6-7,10H,2-5,9H2,1H3,(H,11,12)/t6-,7-/m1/s1
InChIKeyNYBUSPDQIWNDBN-RNFRBKRXSA-N
XLogP0.34
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S,3R)-3-amino-2-hydroxynonanoic acid
CID 87495768
(2S,3S)-3-amino-2-hydroxyhexanoic acid
CID 11205843
2-nonacosylpropanedioic acid
CID 19851286
2-octylpropanedioic acid
CID 12972
2-icosylpropanedioic acid
CID 11582738
(2S)-2-[[(2R,3S)-3-amino-2-hydroxyoctanoyl]amino]-3-methylbutanoic acid
CID 10588397
2-carbamoylhexadecanoic acid
CID 172818471
2-carbamoylheptanoic acid;hydrochloride
CID 175556394
calcium;2-dodecylpropanedioic acid;hydride
CID 174967778
magnesium;2-decylpropanedioic acid;hydride
CID 174968780
(2R)-2-hydroxy-3-methylundecanoic acid
CID 175805023
trilithium;2-octylpropanedioic acid;borate
CID 175907806

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-amino-2-hydroxyoctanoic acid?
The IUPAC name of (2R,3R)-3-amino-2-hydroxyoctanoic acid (CID 10749769) is (2R,3R)-3-amino-2-hydroxyoctanoic acid.
What is the SMILES notation for (2R,3R)-3-amino-2-hydroxyoctanoic acid?
The canonical SMILES for (2R,3R)-3-amino-2-hydroxyoctanoic acid is CCCCC[C@@H](N)[C@@H](O)C(=O)O.
What is the InChIKey of (2R,3R)-3-amino-2-hydroxyoctanoic acid?
The InChIKey is NYBUSPDQIWNDBN-RNFRBKRXSA-N. The full InChI is InChI=1S/C8H17NO3/c1-2-3-4-5-6(9)7(10)8(11)12/h6-7,10H,2-5,9H2,1H3,(H,11,12)/t6-,7-/m1/s1.
What are the key properties of (2R,3R)-3-amino-2-hydroxyoctanoic acid?
(2R,3R)-3-amino-2-hydroxyoctanoic acid has a molecular weight of 175.23 g/mol, XLogP of 0.34, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-amino-2-hydroxyoctanoic acid is sourced from PubChem (CID 10749769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).